Chlorine in PDB 4o34: Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation

All present enzymatic activity of Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation:
3.2.1.17;

The structure of Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation, PDB code: 4o34 was solved by F.Stellato, D.Oberthuer, M.Liang, R.Bean, C.Gati, O.Yefanov, A.Barty, A.Burkhardt, P.Fischer, L.Galli, R.A.Kirian, J.Mayer, S.Pannerselvam, C.H.Yoon, F.Chervinskii, E.Speller, T.A.White, C.Betzel, A.Meents, H.N.Chapman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.07 / 2.09
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.300, 79.300, 38.200, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 23

The structure of Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation (pdb code 4o34). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation, PDB code: 4o34:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:69.8 occ:1.00 O A:CYS64 2.4 43.1 1.0 O A:SER60 2.4 48.3 1.0 O A:HOH308 2.5 49.8 1.0 O A:ARG73 2.6 53.5 1.0 OG A:SER72 2.8 55.4 1.0 CB A:SER72 3.4 56.5 1.0 C A:CYS64 3.4 44.5 1.0 C A:ARG73 3.5 57.8 1.0 C A:SER60 3.5 47.9 1.0 N A:ARG73 3.9 62.0 1.0 CA A:ASN65 3.9 49.1 1.0 N A:ASN65 4.0 45.6 1.0 C A:SER72 4.1 62.5 1.0 CA A:SER60 4.2 45.9 1.0 N A:ASN74 4.3 55.1 1.0 CA A:ARG73 4.3 63.1 1.0 N A:CYS64 4.3 42.6 1.0 CA A:SER72 4.4 60.4 1.0 CB A:SER60 4.5 45.9 1.0 CA A:ASN74 4.5 55.0 1.0 C A:ARG61 4.5 52.9 1.0 CA A:CYS64 4.5 43.0 1.0 O A:ARG61 4.5 52.4 1.0 O A:SER72 4.5 64.5 1.0 N A:ARG61 4.6 48.6 1.0 CB A:ASN74 4.7 56.0 1.0 CB A:ASN65 4.8 52.6 1.0 OD1 A:ASN65 4.8 60.1 1.0 N A:TRP62 4.8 49.7 1.0 N A:ASP66 4.8 45.8 1.0 CA A:ARG61 4.8 53.7 1.0 CB A:THR69 4.9 52.5 1.0 C A:ASN65 4.9 45.7 1.0 N A:TRP63 4.9 45.0 1.0 C A:TRP62 5.0 48.5 1.0 O A:HOH312 5.0 43.1 1.0

Chlorine binding site 2 out of 2 in the Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:68.2 occ:1.00 N A:GLU7 3.1 52.6 1.0 CA A:GLY4 3.5 51.6 1.0 CB A:GLU7 3.5 56.0 1.0 N A:CYS6 3.7 51.8 1.0 C A:GLY4 3.7 52.0 1.0 N A:ARG5 3.9 51.9 1.0 CB A:CYS6 3.9 55.9 1.0 CA A:GLU7 3.9 53.7 1.0 C A:CYS6 4.0 53.0 1.0 CA A:CYS6 4.0 53.2 1.0 O A:GLY4 4.2 49.3 1.0 N A:GLY4 4.4 51.6 1.0 C A:ARG5 4.5 50.3 1.0 CA A:ARG5 4.8 50.9 1.0 OE1 A:GLU7 4.8 60.9 1.0 CG A:GLU7 4.9 58.0 1.0

F.Stellato, D.Oberthur, M.Liang, R.Bean, C.Gati, O.Yefanov, A.Barty, A.Burkhardt, P.Fischer, L.Galli, R.A.Kirian, J.Meyer, S.Panneerselvam, C.H.Yoon, F.Chervinskii, E.Speller, T.A.White, C.Betzel, A.Meents, H.N.Chapman. Room-Temperature Macromolecular Serial Crystallography Using Synchrotron Radiation. Iucrj V. 1 204 2014.
ISSN: ESSN 2052-2525
PubMed: 25075341
DOI: 10.1107/S2052252514010070